(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride

C10H14Cl2FNO — CID 171161362

IUPAC(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
SMILESCC[C@@H](O)[C@@H](N)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C10H13ClFNO.ClH/c1-2-9(14)10(13)7-4-3-6(12)5-8(7)11;/h3-5,9-10,14H,2,13H2,1H3;1H/t9-,10+;/m1./s1
InChIKeyFLAFWLOFNWXYNS-UXQCFNEQSA-N
MW254.13 g/mol
LogP2.67
Rot. Bonds3

About (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride (PubChem CID 171161362) has the molecular formula C10H14Cl2FNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
PubChem CID171161362
Molecular FormulaC10H14Cl2FNO
Molecular Weight254.13 g/mol
Exact Mass253.04
IUPAC Name(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride
SMILESCC[C@@H](O)[C@@H](N)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C10H13ClFNO.ClH/c1-2-9(14)10(13)7-4-3-6(12)5-8(7)11;/h3-5,9-10,14H,2,13H2,1H3;1H/t9-,10+;/m1./s1
InChIKeyFLAFWLOFNWXYNS-UXQCFNEQSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
(1R,2S)-1-amino-1-(2-chloro-4-fluorophenyl)-3-phenylpropan-2-ol
CID 171262225
(1R,2S)-1-amino-1-(4-fluoro-2-methoxyphenyl)butan-2-ol
CID 171264524
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
CID 171161359
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
(1R,3R)-3-amino-1-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237631
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)butan-2-ol
CID 130683149
(1R,2S)-1-amino-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171263890
3-chloro-1-(2-chloro-4-fluorophenyl)propane-1,2-diol
CID 171861599
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride (CID 171161362) is (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride is CC[C@@H](O)[C@@H](N)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride?
The InChIKey is FLAFWLOFNWXYNS-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H13ClFNO.ClH/c1-2-9(14)10(13)7-4-3-6(12)5-8(7)11;/h3-5,9-10,14H,2,13H2,1H3;1H/t9-,10+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride has a molecular weight of 254.13 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 171161362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).